2-cyclononyl-1-prop-2-enylphosphonane

C20H37P — CID 70257614

IUPAC2-cyclononyl-1-prop-2-enylphosphonane
SMILESC=CCP1CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C20H37P/c1-2-17-21-18-13-9-5-8-12-16-20(21)19-14-10-6-3-4-7-11-15-19/h2,19-20H,1,3-18H2
InChIKeyWSIGIBAIXIHBRV-UHFFFAOYSA-N
MW308.49 g/mol
LogP7.13
Rot. Bonds3

About 2-cyclononyl-1-prop-2-enylphosphonane

2-cyclononyl-1-prop-2-enylphosphonane (PubChem CID 70257614) has the molecular formula C20H37P and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-cyclononyl-1-prop-2-enylphosphonane.

Molecular Properties

Compound Name2-cyclononyl-1-prop-2-enylphosphonane
PubChem CID70257614
Molecular FormulaC20H37P
Molecular Weight308.49 g/mol
Exact Mass308.26
IUPAC Name2-cyclononyl-1-prop-2-enylphosphonane
SMILESC=CCP1CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C20H37P/c1-2-17-21-18-13-9-5-8-12-16-20(21)19-14-10-6-3-4-7-11-15-19/h2,19-20H,1,3-18H2
InChIKeyWSIGIBAIXIHBRV-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.49
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclononyl-1-prop-2-enylphosphonane?
The IUPAC name of 2-cyclononyl-1-prop-2-enylphosphonane (CID 70257614) is 2-cyclononyl-1-prop-2-enylphosphonane.
What is the SMILES notation for 2-cyclononyl-1-prop-2-enylphosphonane?
The canonical SMILES for 2-cyclononyl-1-prop-2-enylphosphonane is C=CCP1CCCCCCCC1C1CCCCCCCC1.
What is the InChIKey of 2-cyclononyl-1-prop-2-enylphosphonane?
The InChIKey is WSIGIBAIXIHBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37P/c1-2-17-21-18-13-9-5-8-12-16-20(21)19-14-10-6-3-4-7-11-15-19/h2,19-20H,1,3-18H2.
What are the key properties of 2-cyclononyl-1-prop-2-enylphosphonane?
2-cyclononyl-1-prop-2-enylphosphonane has a molecular weight of 308.49 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononyl-1-prop-2-enylphosphonane is sourced from PubChem (CID 70257614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).